# generated using pymatgen
data_LiFe(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37933000
_cell_length_b   9.39928800
_cell_length_c   12.80498700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(PO3)4
_chemical_formula_sum   'Li4 Fe4 P16 O48'
_cell_volume   1008.51739454
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.00258100  0.75000000  0.00000000  1
  Li  Li1  1  0.50258100  0.75000000  0.50000000  1
  Li  Li2  1  0.49741900  0.25000000  0.50000000  1
  Li  Li3  1  0.99741900  0.25000000  0.00000000  1
  Fe  Fe4  1  0.87086300  0.75000000  0.50000000  1
  Fe  Fe5  1  0.12913700  0.25000000  0.50000000  1
  Fe  Fe6  1  0.62913700  0.25000000  0.00000000  1
  Fe  Fe7  1  0.37086300  0.75000000  0.00000000  1
  P  P8  1  0.46746200  0.49011100  0.84815600  1
  P  P9  1  0.53253800  0.99011100  0.84815600  1
  P  P10  1  0.96746200  0.49011100  0.65184400  1
  P  P11  1  0.17717600  0.99395800  0.86293800  1
  P  P12  1  0.17717600  0.50604200  0.13706200  1
  P  P13  1  0.82282400  0.00604200  0.13706200  1
  P  P14  1  0.46746200  0.00988900  0.15184400  1
  P  P15  1  0.53253800  0.50988900  0.15184400  1
  P  P16  1  0.03253800  0.50988900  0.34815600  1
  P  P17  1  0.96746200  0.00988900  0.34815600  1
  P  P18  1  0.32282400  0.00604200  0.36293800  1
  P  P19  1  0.67717600  0.50604200  0.36293800  1
  P  P20  1  0.32282400  0.49395800  0.63706200  1
  P  P21  1  0.67717600  0.99395800  0.63706200  1
  P  P22  1  0.03253800  0.99011100  0.65184400  1
  P  P23  1  0.82282400  0.49395800  0.86293800  1
  O  O24  1  0.87225700  0.87874100  0.37377400  1
  O  O25  1  0.46707800  0.37177200  0.92796200  1
  O  O26  1  0.53292200  0.87177200  0.92796200  1
  O  O27  1  0.80989200  0.36663700  0.93610300  1
  O  O28  1  0.19010800  0.63336300  0.06389700  1
  O  O29  1  0.80989200  0.13336300  0.06389700  1
  O  O30  1  0.46707800  0.12822800  0.07203800  1
  O  O31  1  0.53292200  0.62822800  0.07203800  1
  O  O32  1  0.09323500  0.37664600  0.10143100  1
  O  O33  1  0.90676500  0.87664600  0.10143100  1
  O  O34  1  0.37225700  0.87874100  0.12622600  1
  O  O35  1  0.62774300  0.37874100  0.12622600  1
  O  O36  1  0.35297900  0.46528900  0.17951600  1
  O  O37  1  0.64702100  0.96528900  0.17951600  1
  O  O38  1  0.09701500  0.57452400  0.24088200  1
  O  O39  1  0.90298500  0.07452400  0.24088200  1
  O  O40  1  0.40298500  0.07452400  0.25911800  1
  O  O41  1  0.59701500  0.57452400  0.25911800  1
  O  O42  1  0.14702100  0.96528900  0.32048400  1
  O  O43  1  0.85297900  0.46528900  0.32048400  1
  O  O44  1  0.12774300  0.37874100  0.37377400  1
  O  O45  1  0.19010800  0.86663700  0.93610300  1
  O  O46  1  0.40676500  0.87664600  0.39856900  1
  O  O47  1  0.59323500  0.37664600  0.39856900  1
  O  O48  1  0.03292200  0.62822800  0.42796200  1
  O  O49  1  0.96707800  0.12822800  0.42796200  1
  O  O50  1  0.30989200  0.13336300  0.43610300  1
  O  O51  1  0.69010800  0.63336300  0.43610300  1
  O  O52  1  0.30989200  0.36663700  0.56389700  1
  O  O53  1  0.69010800  0.86663700  0.56389700  1
  O  O54  1  0.03292200  0.87177200  0.57203800  1
  O  O55  1  0.96707800  0.37177200  0.57203800  1
  O  O56  1  0.40676500  0.62335400  0.60143100  1
  O  O57  1  0.59323500  0.12335400  0.60143100  1
  O  O58  1  0.12774300  0.12125900  0.62622600  1
  O  O59  1  0.87225700  0.62125900  0.62622600  1
  O  O60  1  0.14702100  0.53471100  0.67951600  1
  O  O61  1  0.85297900  0.03471100  0.67951600  1
  O  O62  1  0.40298500  0.42547600  0.74088200  1
  O  O63  1  0.59701500  0.92547600  0.74088200  1
  O  O64  1  0.09701500  0.92547600  0.75911800  1
  O  O65  1  0.90298500  0.42547600  0.75911800  1
  O  O66  1  0.35297900  0.03471100  0.82048400  1
  O  O67  1  0.64702100  0.53471100  0.82048400  1
  O  O68  1  0.37225700  0.62125900  0.87377400  1
  O  O69  1  0.90676500  0.62335400  0.89856900  1
  O  O70  1  0.09323500  0.12335400  0.89856900  1
  O  O71  1  0.62774300  0.12125900  0.87377400  1
